| CAS Number | 1248288-06-3 |
| Catalog Number | AG01BV25 |
| Chemical Name | (2-Amino-3-methylbutyl)(benzyl)amine |
| IUPAC Name | 1-N-benzyl-3-methylbutane-1,2-diamine |
| InChI | InChI=1S/C12H20N2/c1-10(2)12(13)9-14-8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9,13H2,1-2H3 |
| InChI Key | DMPSPBDJFZDNPG-UHFFFAOYSA-N |
| MDL Number | MFCD12796944 |
| Molecular Formula | C12H20N2 |
| Molecular Weight | 192.3006 |
| SMILES | CC(C(CNCC1=CC=CC=C1)N)C |
| Synonyms | (2-amino-3-methylbutyl)(benzyl)amine,
1248288-06-3,
AC1N8F7R,
SCHEMBL5745285,
1-N-benzyl-3-methylbutane-1,2-diamine,
CID4317836,
N-benzyl-3-methyl-butane-1,2-diamine,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.306g/mol |
| Monoisotopic Mass | 192.163g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number